| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 18th, 2010 | 12 | No |
Popular Name: 9-Methylxanthine 9-Methylxanthine
Find On: PubMed — Wikipedia — Google
CAS Number: 1198-33-0
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.67 | -2.73 | -14.92 | 1 | 6 | 0 | 78 | 166.14 | 0 | ↓ |
| Mid Mid (pH 6-8) | -0.21 | -5.24 | -55.49 | 0 | 6 | -1 | 82 | 165.132 | 0 | ↓ |
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